Geometry & MOs

Info

ID:	321943
PubChem CID:	126667436
Reduced:	OSF2N7C22H25 (1)
Stoich.:	ABC2D7E22F25 (1)
Weight, g/mol:	486.176185
ΔH_f, kcal/mol:	-4.36
Dipole, Da:	8.65
IP(EA), eV:	-7.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-6-(4-methylpiperazin-1-yl)-3-N-[4-(1-methylthieno[3,2-c]pyrazol-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)C3=NC(=NC=C3)NC4=C(C=C(C=C4)N(C)CCN(C)C)OC(F)F)SC=C2

DOS

IR

Vibrations